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7390-67-2 | 2-(1H-INDOL-3-YL)-N-(4-METHOXYBENZYL)ETHANAMINE
CAS No: 7390-67-2 Catalog No: AG005AL3 MDL No:MFCD01654148
Product Description
Catalog Number:
AG005AL3
Chemical Name:
2-(1H-INDOL-3-YL)-N-(4-METHOXYBENZYL)ETHANAMINE
CAS Number:
7390-67-2
Molecular Formula:
C18H20N2O
Molecular Weight:
280.3642
MDL Number:
MFCD01654148
IUPAC Name:
2-(1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]ethanamine
InChI:
InChI=1S/C18H20N2O/c1-21-16-8-6-14(7-9-16)12-19-11-10-15-13-20-18-5-3-2-4-17(15)18/h2-9,13,19-20H,10-12H2,1H3
InChI Key:
MBINHSDRJFYMHA-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)CNCCc1c[nH]c2c1cccc2
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.158g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
280.371g/mol
Monoisotopic Mass:
280.158g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
37A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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